Chem
J-GLOBAL ID：200907009538609533   Nikkaji number：J697.407D

α-(Hydroxymethyl)benzeneacetic acid (1R,5S)-6β-hydroxy-7β-(acryloyloxy)tropan-3α-yl ester

α-(ヒドロキシメチル)ベンゼン酢酸(1R,5S)-6β-ヒドロキシ-7β-(アクリロイルオキシ)トロパン-3α-イル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H25NO6
Molecular formula furigana： C20-H25-N-O6
Molecular weight： 375.421
InChI： InChI=1S/C20H25NO6/c1-3-17(23)27-19-16-10-13(9-15(18(19)24)21(16)2)26-20(25)14(11-22)12-7-5-4-6-8-12/h3-8,13-16,18-19,22,24H,1,9-11H2,2H3/t13-,14?,15+,16-,18-,19+/m1/s1
InChI key： QLEHCLAYQYNZFS-UIMBTWBESA-N
SMILES： CN1[C@H]2C[C@H](C[C@@H]1[C@H](OC(=O)C=C)[C@@H]2O)OC(=O)C(CO)c1ccccc1
Systematic name  (3)：
  • α-(ヒドロキシメチル)ベンゼン酢酸(1R,5S)-6β-ヒドロキシ-7β-(アクリロイルオキシ)トロパン-3α-イル
  • (1S,3R,5R,6S,7R)-7-ヒドロキシ-3-[(3-ヒドロキシ-2-フェニルプロパノイル)オキシ]-8-メチル-8-アザビシクロ[3.2.1]オクタン-6-イル プロパ-2-エノアート
  • (1S,3R,5R,6S,7R)-7-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-6-yl prop-2-enoate
Other name (1)：
  • α-(Hydroxymethyl)benzeneacetic acid (1R,5S)-6β-hydroxy-7β-(acryloyloxy)tropan-3α-yl ester
Thsaurus map：
Thesaurus Map

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